[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium

C9H18N3O2+ — CID 7023643

IUPAC[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
SMILESCC(=O)N1CCN(C(=O)CC[NH3+])CC1
InChIInChI=1S/C9H17N3O2/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10/h2-7,10H2,1H3/p+1
InChIKeyANMSVTXATSIOEY-UHFFFAOYSA-O
MW200.26 g/mol
LogP-1.69
Rot. Bonds2

About [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium

[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium (PubChem CID 7023643) has the molecular formula C9H18N3O2+ and a molecular weight of 200.26 g/mol. Its IUPAC name is [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium.

Molecular Properties

Compound Name[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
PubChem CID7023643
Molecular FormulaC9H18N3O2+
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
SMILESCC(=O)N1CCN(C(=O)CC[NH3+])CC1
InChIInChI=1S/C9H17N3O2/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10/h2-7,10H2,1H3/p+1
InChIKeyANMSVTXATSIOEY-UHFFFAOYSA-O
XLogP-1.69
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-bromopropan-1-one;bromomethane
CID 143056300
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853
1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
CID 145404490
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-(4-acetyl-1,4-diazepan-1-yl)-5-chloropentan-1-one
CID 55004274
1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one
CID 138648009
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
CID 165146140
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391

Frequently Asked Questions

What is the IUPAC name of [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium?
The IUPAC name of [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium (CID 7023643) is [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium.
What is the SMILES notation for [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium?
The canonical SMILES for [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium is CC(=O)N1CCN(C(=O)CC[NH3+])CC1.
What is the InChIKey of [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium?
The InChIKey is ANMSVTXATSIOEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3O2/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10/h2-7,10H2,1H3/p+1.
What are the key properties of [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium?
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium has a molecular weight of 200.26 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium is sourced from PubChem (CID 7023643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).